Biophysical Limits of Protein-Ligand Binding

Por Smith, Richard D., Engdahl, Alaina L., Dunbar, James B., Carlson, Heather A.
Publicado em 2012

An Allosteric Modulator of HIV-1 Protease Shows Equipotent Inhibition of Wild-Type and Drug-Resistant Proteases

Por Ung, Peter M.-U., Dunbar, James B., Gestwicki, Jason E., Carlson, Heather A.
Publicado em 2014

Recent improvements to Binding MOAD: a resource for protein–ligand binding affinities and structures

Por Ahmed, Aqeel, Smith, Richard D., Clark, Jordan J., Dunbar, James B., Carlson, Heather A.
Publicado no Nucleic Acids Res (2014)

CSAR Benchmark Exercise 2011–2012: Evaluation of Results from Docking and Relative Ranking of Blinded Congeneric Series

Por Damm-Ganamet, Kelly L., Smith, Richard D., Dunbar, James B., Stuckey, Jeanne A., Carlson, Heather A.
Publicado em 2013

Differences between high- and low-affinity complexes of enzymes and non-enzymes

Por Carlson, Heather A., Smith, Richard D., Khazanov, Nickolay A., Kirchhoff, Paul D., Dunbar, James B., Benson, Mark L.
Publicado em 2008

CSAR Benchmark Exercise of 2010: Combined Evaluation Across All Submitted Scoring Functions

Por Smith, Richard D., Dunbar, James B., Ung, Peter Man-Un, Esposito, Emilio X., Yang, Chao-Yie, Wang, Shaomeng, Carlson, Heather A.
Publicado em 2011

Correction to CSAR Benchmark Exercise of 2010: Selection of the Protein–Ligand Complexes

Por Dunbar, James B., Smith, Richard D., Yang, Chao-Yie, Ung, Peter Man-Un, Lexa, Katrina W., Khazanov, Nickolay A., Stuckey, Jeanne A., Wang, Shaomeng, Carlson, Heather A.
Publicado em 2011

CSAR Benchmark Exercise of 2010: Selection of the Protein–Ligand Complexes

Por Dunbar, James B., Smith, Richard D., Yang, Chao-Yie, Ung, Peter Man-Un, Lexa, Katrina W., Khazanov, Nickolay A., Stuckey, Jeanne A., Wang, Shaomeng, Carlson, Heather A.
Publicado em 2011

CSAR Data Set Release 2012: Ligands, Affinities, Complexes, and Docking Decoys

Por Dunbar, James B., Smith, Richard D., Damm-Ganamet, Kelly L., Ahmed, Aqeel, Esposito, Emilio Xavier, Delproposto, James, Chinnaswamy, Krishnapriya, Kang, You-Na, Kubish, Ginger, Gestwicki, Jason E., Stuckey, Jeanne A., Carlson, Heather A.
Publicado em 2013

Benzothiophene piperazine and piperidine urea inhibitors of fatty acid amide hydrolase (FAAH)

Por Johnson, Douglas S., Ahn, Kay, Kesten, Suzanne, Lazerwith, Scott E., Song, Yuntao, Morris, Mark, Fay, Lorraine, Gregory, Tracy, Stiff, Cory, Dunbar, James B., Liimatta, Marya, Beidler, David, Smith, Sarah, Nomanbhoy, Tyzoon K., Cravatt, Benjamin F.
Publicado em 2009

CSAR 2014: A Benchmark Exercise Using Unpublished Data from Pharma

Por Carlson, Heather A., Smith, Richard D., Damm-Ganamet, Kelly L., Stuckey, Jeanne A., Ahmed, Aqeel, Convery, Maire A., Somers, Donald O., Kranz, Michael, Elkins, Patricia A., Cui, Guanglei, Peishoff, Catherine E., Lambert, Millard H., Dunbar, James B.
Publicado no J Chem Inf Model (2016)

D3R Grand Challenge 2015: Evaluation of Protein-Ligand Pose and Affinity Predictions

Por Gathiaka, Symon, Liu, Shuai, Chiu, Michael, Yang, Huanwang, Stuckey, Jeanne A, Kang, You Na, Delproposto, Jim, Kubish, Ginger, Dunbar, James B., Carlson, Heather A., Burley, Stephen K., Walters, W. Patrick, Amaro, Rommie E., Feher, Victoria A., Gilson, Michael K.
Publicado no J Comput Aided Mol Des (2016)